NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.0123 8.2116 122.9423 52.3091 19.8336 178.6243 3 D 4.4439 8.4542 118.5839 55.3367 40.4621 174.8422 4 K 4.4503 9.1612 123.3641 57.0466 32.5431 178.1111 5 E 4.5621 8.0194 119.8045 56.5195 31.1431 176.4225 6 L 3.8413 8.0374 120.2518 55.2620 42.5168 176.2047 7 K 4.5042 8.7623 127.2830 56.3631 33.3370 175.2642 8 F 5.3896 9.6983 126.5571 55.7348 42.1981 174.3043 9 L 5.3687 9.0745 124.0526 53.4651 44.7731 175.0220 10 V 4.9690 8.6731 126.4404 61.3334 33.8050 174.4685 11 V 5.3763 8.6905 121.7469 58.9910 34.2832 174.3407 12 D 4.7438 8.4315 122.6300 53.6642 44.0591 175.5664 13 D 4.6090 8.6101 121.9038 53.5618 40.4510 176.9924 14 F 4.9736 8.5479 120.9161 56.1278 39.2958 175.9560 15 S 4.2072 8.8301 120.6015 62.1293 62.5612 176.5806 16 T 3.8765 7.9652 118.5764 66.5762 68.2385 176.0905 17 M 4.1212 8.0047 119.6051 58.4522 32.2900 178.3235 18 R 4.0185 8.1650 118.5665 59.1798 30.2079 178.9680 19 R 3.8999 8.2196 118.5957 59.2616 30.0067 178.4906 20 I 3.6225 7.6838 119.7020 64.5639 37.0881 178.5239 21 V 3.6805 7.8860 118.8281 66.1025 31.3802 178.0574 22 R 3.8645 8.3694 118.7686 59.1443 29.7984 178.1658 23 N 4.2980 8.2310 117.0826 56.5814 39.0312 176.8622 24 L 4.0039 8.2508 120.8154 57.8908 41.6491 179.5976 25 L 3.9871 8.2024 119.1188 57.5317 41.4539 179.4410 26 K 4.0254 8.1121 119.5611 59.6311 31.9593 178.2833 27 E 3.9495 8.3121 118.5684 59.2753 29.5893 178.0607 28 L 4.3091 7.6642 116.1189 55.1311 42.0507 177.7138 29 G 3.6847 8.2918 108.2473 44.8901 0.0000 174.1001 30 F 4.5841 8.0512 119.4787 56.5709 37.7816 175.1526 31 N 4.6645 8.0905 121.5325 53.0671 38.2020 175.8955 32 N 4.8059 7.9275 117.8934 52.0924 38.4796 172.7905 33 V 5.0261 7.9891 121.1170 61.1197 34.9443 173.7196 34 E 4.9763 9.5495 126.6783 54.7009 33.3858 174.5877 35 E 5.3941 8.8162 119.4719 54.8199 33.3996 175.2054 36 A 4.8775 8.6996 121.3837 50.7580 22.3741 176.6291 37 E 4.6813 9.8471 120.7032 55.3137 30.3512 174.9260 38 D 4.3789 7.4529 116.6478 52.2937 42.6325 176.6390 39 G 3.6095 8.2217 106.3759 48.0506 0.0000 175.9512 40 V 3.4954 7.7367 119.9133 65.7686 31.7438 177.2645 41 D 4.2649 8.5365 117.6949 57.2906 40.9449 177.9608 42 A 3.8914 8.6412 121.5859 55.4051 18.3371 179.5392 43 L 3.8810 8.4221 117.4857 58.0219 41.4270 179.6033 44 N 4.2794 8.1176 115.6509 56.3097 38.6518 177.3389 45 K 4.0995 8.0101 119.8233 59.2274 32.0495 179.5044 46 L 3.5777 8.0025 119.6744 57.8432 41.3522 179.6499 47 Q 4.0032 8.0689 116.3723 58.3496 28.6349 177.8985 48 A 4.2916 7.4916 119.7076 50.8461 18.5344 176.6845 49 G 3.7629 8.8500 110.7696 45.9101 0.0000 174.2747 50 G 4.0983 8.9952 105.7544 45.2416 0.0000 173.6215 51 Y 4.3947 8.0875 117.0057 57.1985 39.0515 175.3708 52 G 4.1857 8.5442 108.7956 45.9566 0.0000 172.7549 53 F 4.4496 7.5671 120.6280 56.9422 42.9546 172.5122 54 V 5.0426 8.6018 125.4397 61.1866 34.6332 173.9771 55 I 5.0649 9.2312 128.7891 59.8648 39.6140 173.4445 56 S 5.0282 8.9207 125.0660 56.3583 65.7001 173.9421 *58 W 4.5724 8.8159 124.1192 57.6369 32.7179 176.4911 59 N 5.0527 8.5488 122.0847 52.7983 37.0393 173.1859 60 M 4.7392 7.7993 122.0984 52.2325 36.0565 174.0399 61 P 4.2966 0.0000 0.0000 63.5977 31.6405 173.8861 62 N 4.3544 8.2937 118.9426 53.2417 36.9900 174.3287 63 M 4.9426 7.5864 125.8389 51.6310 34.2583 175.4813 64 D 4.6626 8.5005 126.9525 53.0503 41.6399 177.0196 65 G 3.5438 8.4318 105.6761 47.1698 0.0000 175.8497 66 L 3.5883 6.9535 122.4394 57.8289 42.0824 178.6128 67 E 3.8240 8.3727 118.8876 59.2344 29.4116 178.9661 68 L 3.8734 7.7257 120.3828 58.0352 42.0185 178.8128 69 L 3.8899 7.8745 120.1831 57.9474 42.0495 179.0667 70 K 3.8857 7.7882 117.9209 59.8599 31.8151 179.3036 71 T 3.8409 7.5217 114.4389 66.6859 68.6424 176.3753 72 I 3.7902 7.6167 121.4079 64.6549 37.0135 178.8434 73 R 3.9147 8.0077 117.0749 58.6453 29.9354 178.1490 74 A 4.5278 7.7238 118.4076 51.6265 19.3235 176.5331 75 D 4.5243 7.8748 118.5554 52.4083 40.9156 176.7293 76 G 3.7348 8.9026 116.8885 48.8130 0.0000 173.5373 77 A 4.1683 8.2821 121.9922 54.6768 18.6973 178.3902 78 M 4.8241 8.8550 113.0641 55.3040 32.0973 177.2243 79 S 4.2062 8.3724 115.7555 61.3653 63.1196 174.5083 80 A 4.4615 7.6973 121.8873 51.4191 19.0625 176.3167 81 L 3.9300 7.5862 120.3804 54.6091 42.6257 175.1248 82 P 3.9867 0.0000 0.0000 62.6600 32.4211 175.3656 83 V 4.5631 8.6576 124.1542 61.0803 34.6775 173.6860 84 L 4.9884 9.2726 131.6365 53.9988 43.7124 174.6568 85 M 4.9347 8.9481 127.1436 54.6358 33.8745 174.6308 86 V 4.8320 9.0774 127.4071 61.5360 32.8336 174.9330 87 I 4.8392 8.9567 121.3980 59.0733 40.2937 176.5627 88 A 4.2297 8.7910 125.4763 54.2943 18.8603 177.3211 89 E 4.6714 7.5850 112.7164 55.2156 33.9295 174.9206 90 A 4.4555 8.2458 123.5953 51.7235 18.1068 179.0990 91 K 4.1949 7.5335 122.5773 55.5788 34.0898 177.8790 92 K 3.8115 8.6258 125.0012 59.5912 32.1434 178.2632 93 E 3.8495 8.0995 118.2768 59.5868 29.4557 178.5586 94 N 3.4847 7.7321 115.8023 56.6570 39.0025 176.6061 95 I 2.8906 7.2519 120.8428 64.2226 37.0088 178.5873 96 I 3.4852 7.6968 120.2259 64.2988 36.5572 178.3400 97 A 4.0410 8.3742 121.1708 54.2527 18.1040 179.0911 98 A 4.3661 7.7235 119.0572 54.5393 19.6010 179.4218 99 A 4.0596 7.8258 119.1866 55.1562 18.1014 179.9808 100 Q 3.9139 8.1239 116.1091 59.0464 28.9842 178.2614 101 A 4.2710 7.3794 116.9808 52.3921 18.4356 177.3953 102 G 3.6758 7.8281 104.8865 46.0247 0.0000 174.2010 103 A 4.1521 8.3620 123.1211 51.7445 18.8965 180.0984 104 S 4.1572 8.9944 119.3624 60.1708 63.3448 174.1133 105 G 4.3162 7.2211 107.0876 46.6522 0.0000 171.6914 106 W 5.4900 8.3200 114.3300 55.8570 30.4817 174.2488 107 V 4.1106 8.7097 114.0176 59.5934 35.9234 174.4150 108 V 4.8467 8.0918 122.8268 61.2128 32.6067 175.4658 109 K 4.7105 9.0765 128.8030 55.8887 33.5231 175.2853 110 P 4.4698 0.0000 0.0000 62.2804 32.3739 175.1180 111 F 5.0119 7.5233 114.0521 54.8201 41.1642 174.4784 112 T 4.5151 8.2003 111.4837 60.0501 72.1403 175.3973 113 A 4.0345 8.4084 122.2655 55.2011 18.4074 179.6781 114 A 3.9706 7.9665 118.8397 55.5982 18.4510 179.9408 115 T 3.7796 7.9726 114.2170 66.5871 68.5146 176.6409 116 L 3.7280 8.1141 122.4100 58.1645 41.9716 178.4492 117 E 3.9891 8.7402 119.3113 59.7663 29.4687 177.9897 118 E 3.9273 8.1771 118.9134 58.9250 29.6422 178.5275 119 K 3.8190 8.3379 118.2934 59.8053 32.2897 178.9797 120 L 3.8772 8.1483 118.9756 57.8702 41.5665 179.4475 121 N 4.5947 8.4943 116.4655 56.3394 38.5810 177.1395 122 K 3.9004 8.3789 121.2901 59.8351 32.3065 178.7602 123 I 3.7203 7.7456 119.7749 64.4741 36.9727 178.4541 124 F 4.5445 8.4179 118.2010 59.8026 38.5925 177.4594 125 E 4.2249 8.2002 119.6941 59.7085 29.3593 178.0673 126 K 3.8890 7.9415 116.7931 60.3250 32.1539 178.7461 127 L 4.2487 8.1560 115.5099 54.3940 42.6869 178.3555 128 G 4.0066 7.6257 106.5643 47.2469 0.0000 174.1777 129 M 4.3704 9.2098 124.3760 55.5669 32.4113 176.5886 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.21 5.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.45 4.44 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.16 4.45 0.00 1.61 1.52 0.00 1.31 0.00 0.00 0.95 0.00 0.00 2.35 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.60 1.10 7.81 5 E 8.02 4.56 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 6 L 8.04 3.84 0.00 1.83 2.05 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.76 4.50 0.00 1.75 1.36 0.00 1.44 0.00 0.00 0.88 0.00 0.00 2.34 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.11 1.32 7.81 8 F 9.70 5.39 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.07 5.37 0.00 2.17 1.65 1.12 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.67 4.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 11 V 8.69 5.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 12 D 8.43 4.74 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.61 4.61 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.55 4.97 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.83 4.21 0.00 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.97 3.88 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 17 M 8.00 4.12 0.00 2.49 2.16 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 18 R 8.17 4.02 0.00 2.10 2.09 0.00 3.45 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 19 R 8.22 3.90 0.00 2.06 2.03 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 I 7.68 3.62 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.69 0.00 0.00 21 V 7.89 3.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.15 0.00 0.00 22 R 8.37 3.86 0.00 2.02 2.06 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 N 8.23 4.30 0.00 3.02 2.91 0.00 0.00 7.14 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.25 4.00 0.00 1.90 1.78 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.20 3.99 0.00 1.79 1.57 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.11 4.03 0.00 2.00 1.99 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.49 7.81 27 E 8.31 3.95 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 28 L 7.66 4.31 0.00 2.07 1.82 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.29 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.05 4.58 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.09 4.66 0.00 2.82 2.92 0.00 0.00 6.94 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.93 4.81 0.00 3.09 2.87 0.00 0.00 6.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.99 5.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 34 E 9.55 4.98 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 35 E 8.82 5.39 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 36 A 8.70 4.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.85 4.68 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 38 D 7.45 4.38 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.22 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.74 3.50 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.89 0.00 0.00 41 D 8.54 4.26 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.64 3.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.42 3.88 0.00 1.74 1.68 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.12 4.28 0.00 2.84 2.86 0.00 0.00 7.10 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.01 4.10 0.00 1.92 1.52 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.47 7.81 46 L 8.00 3.58 0.00 1.63 1.57 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.07 4.00 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 48 A 7.49 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.09 4.39 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.54 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.57 4.45 0.00 2.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.60 5.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 55 I 9.23 5.06 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 1.07 0.00 0.00 56 S 8.92 5.03 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 W 8.82 4.57 0.00 3.60 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.55 5.05 0.00 2.94 2.91 0.00 0.00 6.73 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.80 4.74 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 61 P 0.00 4.30 0.00 1.97 1.93 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 62 N 8.29 4.35 0.00 2.85 2.87 0.00 0.00 6.64 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.59 4.94 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 64 D 8.50 4.66 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 6.95 3.59 0.00 0.27 1.13 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.37 3.82 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.60 0.00 68 L 7.73 3.87 0.00 1.69 1.72 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.87 3.89 0.00 1.83 1.83 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.79 3.89 0.00 1.97 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.57 7.81 71 T 7.52 3.84 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 72 I 7.62 3.79 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.85 0.00 0.00 73 R 8.01 3.91 0.00 1.87 1.97 0.00 3.28 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.09 0.00 74 A 7.72 4.53 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.87 4.52 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.28 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.85 4.82 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 79 S 8.37 4.21 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.70 4.46 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.59 3.93 0.00 1.65 1.54 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 3.99 0.00 0.49 0.93 0.00 3.31 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 83 V 8.66 4.56 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 84 L 9.27 4.99 0.00 2.00 1.77 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 M 8.95 4.93 0.00 2.48 2.13 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.91 0.00 86 V 9.08 4.83 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.12 0.00 0.00 87 I 8.96 4.84 1.78 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.92 0.00 0.00 88 A 8.79 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.59 4.67 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 90 A 8.25 4.46 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.53 4.19 0.00 1.69 1.61 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.45 7.81 92 K 8.63 3.81 0.00 1.82 1.75 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.53 7.81 93 E 8.10 3.85 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 94 N 7.73 3.48 0.00 2.14 2.48 0.00 0.00 7.03 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.25 2.89 1.50 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.61 -0.08 0.00 0.00 96 I 7.70 3.49 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.84 0.00 0.00 97 A 8.37 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.72 4.37 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.83 4.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.12 3.91 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 101 A 7.38 4.27 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.36 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.99 4.16 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.22 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.32 5.49 0.00 3.43 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.71 4.11 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.41 0.00 0.00 108 V 8.09 4.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.96 0.00 0.00 109 K 9.08 4.71 0.00 1.88 2.00 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.45 7.81 110 P 0.00 4.47 0.00 2.12 2.03 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 111 F 7.52 5.01 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.20 4.52 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 113 A 8.41 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.97 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.97 3.78 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 116 L 8.11 3.73 0.00 2.01 1.92 0.69 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.74 3.99 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 118 E 8.18 3.93 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 119 K 8.34 3.82 0.00 1.80 1.76 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.41 1.39 7.81 120 L 8.15 3.88 0.00 2.01 1.96 0.50 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.49 4.59 0.00 2.98 2.97 0.00 0.00 6.66 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.38 3.90 0.00 1.82 1.99 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 123 I 7.75 3.72 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.89 0.72 0.00 0.00 124 F 8.42 4.54 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.20 4.22 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 126 K 7.94 3.89 0.00 1.95 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.75 7.81 127 L 8.16 4.25 0.00 1.70 1.70 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.63 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 M 9.21 4.37 0.00 2.31 2.51 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.